(E,5S,6R,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6,11-bis(2-trimethylsilylethoxymethoxy)undec-9-en-5-ol

C49H102O10Si4 — CID 10653483

About (E,5S,6R,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6,11-bis(2-trimethylsilylethoxymethoxy)undec-9-en-5-ol

(E,5S,6R,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6,11-bis(2-trimethylsilylethoxymethoxy)undec-9-en-5-ol (PubChem CID 10653483) has the molecular formula C49H102O10Si4 and a molecular weight of 963.69 g/mol. Its IUPAC name is (E,5S,6R,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6,11-bis(2-trimethylsilylethoxymethoxy)undec-9-en-5-ol.

Molecular Properties

• Compound Name: (E,5S,6R,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6,11-bis(2-trimethylsilylethoxymethoxy)undec-9-en-5-ol
• PubChem CID: 10653483
• Molecular Formula: C49H102O10Si4
• Molecular Weight: 963.69 g/mol
• Exact Mass: 962.66
• IUPAC Name: (E,5S,6R,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6,11-bis(2-trimethylsilylethoxymethoxy)undec-9-en-5-ol
• SMILES: CCCC[C@H](O)[C@@H](CC/C=C/[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)O2)O1)OCOCC[Si](C)(C)C
• InChI: InChI=1S/C49H102O10Si4/c1-16-17-23-41(50)42(54-38-51-32-35-60(5,6)7)24-20-21-26-44(56-40-53-34-37-62(11,12)13)46-28-30-48(59-46)47-29-27-45(58-47)43(55-39-52-33-36-61(8,9)10)25-19-18-22-31-57-63(14,15)49(2,3)4/h21,26,41-48,50H,16-20,22-25,27-40H2,1-15H3/b26-21+/t41-,42+,43+,44+,45+,46+,47+,48+/m0/s1
• InChIKey: SXUZEOQWKLCGMO-PIVWWOTCSA-N
• XLogP: 12.64
• TPSA: 103.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 36
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.69
LogP ≤ 5	12.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E,5S,6R,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6,11-bis(2-trimethylsilylethoxymethoxy)undec-9-en-5-ol?

The IUPAC name of (E,5S,6R,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6,11-bis(2-trimethylsilylethoxymethoxy)undec-9-en-5-ol (CID 10653483) is (E,5S,6R,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6,11-bis(2-trimethylsilylethoxymethoxy)undec-9-en-5-ol.

What is the SMILES notation for (E,5S,6R,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6,11-bis(2-trimethylsilylethoxymethoxy)undec-9-en-5-ol?

The canonical SMILES for (E,5S,6R,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6,11-bis(2-trimethylsilylethoxymethoxy)undec-9-en-5-ol is CCCC[C@H](O)[C@@H](CC/C=C/[C@@H](OCOCC[Si](C)(C)C)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C)O2)O1)OCOCC[Si](C)(C)C.

What is the InChIKey of (E,5S,6R,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6,11-bis(2-trimethylsilylethoxymethoxy)undec-9-en-5-ol?

The InChIKey is SXUZEOQWKLCGMO-PIVWWOTCSA-N. The full InChI is InChI=1S/C49H102O10Si4/c1-16-17-23-41(50)42(54-38-51-32-35-60(5,6)7)24-20-21-26-44(56-40-53-34-37-62(11,12)13)46-28-30-48(59-46)47-29-27-45(58-47)43(55-39-52-33-36-61(8,9)10)25-19-18-22-31-57-63(14,15)49(2,3)4/h21,26,41-48,50H,16-20,22-25,27-40H2,1-15H3/b26-21+/t41-,42+,43+,44+,45+,46+,47+,48+/m0/s1.

What are the key properties of (E,5S,6R,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6,11-bis(2-trimethylsilylethoxymethoxy)undec-9-en-5-ol?

(E,5S,6R,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6,11-bis(2-trimethylsilylethoxymethoxy)undec-9-en-5-ol has a molecular weight of 963.69 g/mol, XLogP of 12.64, 36 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (E,5S,6R,11R)-11-[(2R,5R)-5-[(2R,5R)-5-[(1R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hexyl]oxolan-2-yl]oxolan-2-yl]-6,11-bis(2-trimethylsilylethoxymethoxy)undec-9-en-5-ol is sourced from PubChem (CID 10653483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).